@<TRIPOS>MOLECULE
88292816
22 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.0025    -3.2087     1.8822	O.3	1	noname	-0.3301
2	O2    -3.8903    -1.8165     1.5654	O.2	1	noname	-0.2898
3	O3     3.3529     1.4396     1.3138	O.2	1	noname	-0.2891
4	O4    -0.2520     1.7541    -0.7374	O.2	1	noname	-0.1720
5	N1    -1.8185    -1.0991     1.0905	N.3	1	noname	0.0392
6	N2     1.4414     0.3172     0.9863	N.3	1	noname	0.0666
7	N3     0.2722    -1.9557     1.7130	N.3	1	noname	-0.0295
8	N4    -0.5962     1.0277     0.1223	N.2	1	noname	-0.0396
9	N5    -2.3245    -2.3193     3.0409	N.3	1	noname	-0.0790
10	N6     1.4898     2.6432     1.4375	N.3	1	noname	-0.0785
11	C1    -0.4826    -0.9849     1.2063	C.2	1	noname	-0.0372
12	C2     0.1182     0.1492     0.7759	C.2	1	noname	0.0691
13	C3    -2.6962    -1.7481     1.8985	C.2	1	noname	-0.0146
14	C4     2.1052     1.4792     1.2177	C.2	1	noname	-0.0092
15	H1    -2.2469    -0.5919     0.3856	H	1	noname	0.1396
16	H2     1.9820    -0.4892     1.0242	H	1	noname	0.1402
17	H3     1.1812    -1.8617     1.3879	H	1	noname	0.1622
18	H4    -1.4447    -2.1808     3.3646	H	1	noname	0.1285
19	H5    -2.9302    -2.8550     3.5561	H	1	noname	0.1285
20	H6     1.9710     3.4823     1.4389	H	1	noname	0.1285
21	H7     0.5333     2.6153     1.5765	H	1	noname	0.1285
22	H8     0.7761    -3.6582     2.2821	H	1	noname	0.2379
@<TRIPOS>BOND
1	1	7	1
2	1	22	1
3	2	13	2
4	3	14	2
5	4	8	2
6	5	11	1
7	5	13	1
8	5	15	1
9	6	12	1
10	6	14	1
11	6	16	1
12	7	11	1
13	7	17	1
14	8	12	1
15	9	13	1
16	9	18	1
17	9	19	1
18	10	14	1
19	10	20	1
20	10	21	1
21	11	12	2
@<TRIPOS>SUBSTRUCTURE
1	noname	1